Information card for entry 7111156

Structure parameters

• Formula: C110.5 H200 O24 Si16 Ti
• Calculated formula: C110.5 H196 O24 Si16 Ti
• Title of publication: A novel route to advanced model systems for silica-immobilized olefin polymerization catalysts
• Authors of publication: Edelmann, Frank T.; Gießmann, Stephan; Fischer, Axel
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2153
• a: 12.0428 ± 0.0003 Å
• b: 22.4605 ± 0.0009 Å
• c: 25.5404 ± 0.0009 Å
• α: 106.667 ± 0.003°
• β: 99.602 ± 0.003°
• γ: 100.045 ± 0.003°
• Cell volume: 6342.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No